azepan-1-yl-[1-[3-(2-methylpropoxy)benzoyl]piperidin-4-yl]methanone

C23H34N2O3 — CID 134029931

IUPACazepan-1-yl-[1-[3-(2-methylpropoxy)benzoyl]piperidin-4-yl]methanone
SMILESCC(C)COc1cccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1
InChIInChI=1S/C23H34N2O3/c1-18(2)17-28-21-9-7-8-20(16-21)23(27)25-14-10-19(11-15-25)22(26)24-12-5-3-4-6-13-24/h7-9,16,18-19H,3-6,10-15,17H2,1-2H3
InChIKeyOFWMTIMIKQEDLR-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.98
Rot. Bonds5

About azepan-1-yl-[1-[3-(2-methylpropoxy)benzoyl]piperidin-4-yl]methanone

azepan-1-yl-[1-[3-(2-methylpropoxy)benzoyl]piperidin-4-yl]methanone (PubChem CID 134029931) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is azepan-1-yl-[1-[3-(2-methylpropoxy)benzoyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-[3-(2-methylpropoxy)benzoyl]piperidin-4-yl]methanone
PubChem CID134029931
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Nameazepan-1-yl-[1-[3-(2-methylpropoxy)benzoyl]piperidin-4-yl]methanone
SMILESCC(C)COc1cccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1
InChIInChI=1S/C23H34N2O3/c1-18(2)17-28-21-9-7-8-20(16-21)23(27)25-14-10-19(11-15-25)22(26)24-12-5-3-4-6-13-24/h7-9,16,18-19H,3-6,10-15,17H2,1-2H3
InChIKeyOFWMTIMIKQEDLR-UHFFFAOYSA-N
XLogP3.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[3-(2-methylpropoxy)benzoyl]piperidine-4-carboxylate
CID 108731428
[4-(1-aminoethyl)piperidin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 119518490
[(3S)-3-aminopyrrolidin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 124682177
[3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401618
azepan-1-yl-[1-[3-(methoxymethyl)benzoyl]piperidin-4-yl]methanone
CID 134029936
2-[3-(2-methylpropoxy)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54823197
N-[[3-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 26159993
piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone
CID 6458312
azepan-1-yl-[1-[4-(3-methylbutoxy)benzoyl]piperidin-4-yl]methanone
CID 134029878
[3-[4-(cyclohexanecarbonyl)-1,4-diazepane-1-carbonyl]phenyl] acetate
CID 108543486
[3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone
CID 126671401
6-[3-(2-methylpropoxy)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174556

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-[3-(2-methylpropoxy)benzoyl]piperidin-4-yl]methanone?
The IUPAC name of azepan-1-yl-[1-[3-(2-methylpropoxy)benzoyl]piperidin-4-yl]methanone (CID 134029931) is azepan-1-yl-[1-[3-(2-methylpropoxy)benzoyl]piperidin-4-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-[3-(2-methylpropoxy)benzoyl]piperidin-4-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-[3-(2-methylpropoxy)benzoyl]piperidin-4-yl]methanone is CC(C)COc1cccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1.
What is the InChIKey of azepan-1-yl-[1-[3-(2-methylpropoxy)benzoyl]piperidin-4-yl]methanone?
The InChIKey is OFWMTIMIKQEDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-18(2)17-28-21-9-7-8-20(16-21)23(27)25-14-10-19(11-15-25)22(26)24-12-5-3-4-6-13-24/h7-9,16,18-19H,3-6,10-15,17H2,1-2H3.
What are the key properties of azepan-1-yl-[1-[3-(2-methylpropoxy)benzoyl]piperidin-4-yl]methanone?
azepan-1-yl-[1-[3-(2-methylpropoxy)benzoyl]piperidin-4-yl]methanone has a molecular weight of 386.54 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-[3-(2-methylpropoxy)benzoyl]piperidin-4-yl]methanone is sourced from PubChem (CID 134029931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).